Geometry & MOs

Info

ID:	173843
PubChem CID:	75690389
Reduced:	FOSN2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	-77.77
Dipole, Da:	1.74
IP(EA), eV:	-8.72(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)F)SC

DOS

IR

Vibrations